Information card for entry 7220450

Structure parameters

• Chemical name: catena-((μu2-pyrazine)-hexakis(μu2-cyano)-decakis(cyano)-decakis(dimethylformamide)-tri-copper(ii)-di-molybdenum(v))
• Formula: C50 H74 Cu3 Mo2 N28 O10
• Calculated formula: C50 H74 Cu3 Mo2 N28 O10
• Title of publication: Linking magnetic MII‒[MV(CN)8] chains into 2D inorganic‒organic hybrid materials
• Authors of publication: Stefańczyk, O.; Majcher, A. M.; Rams, M.; Nitek, W.; Mathonière, C.; Sieklucka, B.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 4533
• a: 10.056 ± 0.0003 Å
• b: 10.697 ± 0.0003 Å
• c: 17.41 ± 0.0005 Å
• α: 93.364 ± 0.002°
• β: 104.168 ± 0.002°
• γ: 102.945 ± 0.002°
• Cell volume: 1756.85 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for significantly intense reflections: 27.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No